cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C16H25N3O — CID 56724065

IUPACcyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-12-10-13(2)19(17-12)11-14-6-8-18(9-7-14)16(20)15-4-3-5-15/h10,14-15H,3-9,11H2,1-2H3
InChIKeyYJRPXAYDUOWIQO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.54
Rot. Bonds3

About cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56724065) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56724065
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Namecyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-12-10-13(2)19(17-12)11-14-6-8-18(9-7-14)16(20)15-4-3-5-15/h10,14-15H,3-9,11H2,1-2H3
InChIKeyYJRPXAYDUOWIQO-UHFFFAOYSA-N
XLogP2.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 90494955
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90494958
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 86792716
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
methyl 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660767
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 90495178
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 56724052
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 90495494
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90495002

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56724065) is cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cc(C)n(CC2CCN(C(=O)C3CCC3)CC2)n1.
What is the InChIKey of cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YJRPXAYDUOWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-10-13(2)19(17-12)11-14-6-8-18(9-7-14)16(20)15-4-3-5-15/h10,14-15H,3-9,11H2,1-2H3.
What are the key properties of cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56724065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).